1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C18H24N6 — CID 24864850

IUPAC1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)c1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C18H24N6/c1-18(2,3)24-17-15(16(19)20-11-21-17)14(22-24)10-12-7-6-8-13(9-12)23(4)5/h6-9,11H,10H2,1-5H3,(H2,19,20,21)
InChIKeyZJRRVGPVRHWCLG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.82
Rot. Bonds3

About 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24864850) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24864850
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)c1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C18H24N6/c1-18(2,3)24-17-15(16(19)20-11-21-17)14(22-24)10-12-7-6-8-13(9-12)23(4)5/h6-9,11H,10H2,1-5H3,(H2,19,20,21)
InChIKeyZJRRVGPVRHWCLG-UHFFFAOYSA-N
XLogP2.82
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24865390
1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70686735
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
N-[1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
CID 59633481
N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane
CID 158900073
sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide
CID 158596033
1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158037733
(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol
CID 59633720
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633769
1-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea
CID 58506752
3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 142531525

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 24864850) is 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CN(C)c1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1.
What is the InChIKey of 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZJRRVGPVRHWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-18(2,3)24-17-15(16(19)20-11-21-17)14(22-24)10-12-7-6-8-13(9-12)23(4)5/h6-9,11H,10H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24864850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).